(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine

C19H38N2 — CID 170569544

IUPAC(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(CCCCC2CCCCC2)[C@@H](C)C1
InChIInChI=1S/C19H38N2/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19/h16-19H,5-15H2,1-4H3/t17-,18+
InChIKeyGKRWSGUQGLJADB-HDICACEKSA-N
MW294.53 g/mol
LogP4.54
Rot. Bonds6

About (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine

(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine (PubChem CID 170569544) has the molecular formula C19H38N2 and a molecular weight of 294.53 g/mol. Its IUPAC name is (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
PubChem CID170569544
Molecular FormulaC19H38N2
Molecular Weight294.53 g/mol
Exact Mass294.30
IUPAC Name(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine
SMILESCC(C)N1C[C@@H](C)N(CCCCC2CCCCC2)[C@@H](C)C1
InChIInChI=1S/C19H38N2/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19/h16-19H,5-15H2,1-4H3/t17-,18+
InChIKeyGKRWSGUQGLJADB-HDICACEKSA-N
XLogP4.54
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.53
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine;2-methylpropane
CID 170569249
(7-cyclopentyl-3-methylheptyl)cyclopentane
CID 123466678
4-cyclopentylbutylcyclohexane
CID 144547696
2,6-dimethyl-1-[(1-methylpiperidin-4-yl)methyl]-4-propan-2-ylpiperazine
CID 170616894
(2R)-1-[4-(4-methoxycyclohexyl)butyl]-2-methyl-4-propan-2-ylpiperazine
CID 175636165
(2S)-2-methyl-4-propan-2-yl-1-[4-(4-propan-2-yloxycyclohexyl)butyl]piperazine
CID 170372476
13-methyltetradecylcyclopentane
CID 123698808
4-methylpentylcyclopentane
CID 523530
6-cyclohexyl-3-methylhexanoic acid
CID 165358619
3-cyclohexadecylpropylcyclohexadecane
CID 57270632
4-(1-methoxyethoxy)butylcyclohexane
CID 21363364
6,12-dimethylhexadecylcyclopentane;ethane;methane
CID 145468436

Frequently Asked Questions

What is the IUPAC name of (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine?
The IUPAC name of (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine (CID 170569544) is (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine?
The canonical SMILES for (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine is CC(C)N1C[C@@H](C)N(CCCCC2CCCCC2)[C@@H](C)C1.
What is the InChIKey of (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine?
The InChIKey is GKRWSGUQGLJADB-HDICACEKSA-N. The full InChI is InChI=1S/C19H38N2/c1-16(2)20-14-17(3)21(18(4)15-20)13-9-8-12-19-10-6-5-7-11-19/h16-19H,5-15H2,1-4H3/t17-,18+.
What are the key properties of (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine?
(2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine has a molecular weight of 294.53 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,6R)-1-(4-cyclohexylbutyl)-2,6-dimethyl-4-propan-2-ylpiperazine is sourced from PubChem (CID 170569544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).